SCHEMBL30835899

SCHEMBL30835899

Cc1noc(-c2ccccc2)c1COc1cccc(C(=O)N(N)C(=O)c2ccc3ccccc3n2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HPGD P15428 2/20 0.42
CNR2 P34972 1/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 4/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30835871 0.90 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL30835905 0.87 ALDH1A1 (0.44) CYSLTR1GPBAR1ALDH1A1MAPTLMNA
SCHEMBL30835894 0.86 ALDH1A1 (0.43) CYSLTR1GPBAR1ALDH1A1MAPTLMNA
SCHEMBL32676017 0.85 LMNA (0.50) CYSLTR1GPBAR1ALDH1A1MAPTLMNA
SCHEMBL4639160 0.79 ALDH1A1 (0.53) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL30835886 0.79 ALDH1A1 (0.61) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL32676006 0.74 ALDH1A1 (0.63) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL30835869 0.74 ALDH1A1 (0.62) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL30835880 0.73 ALDH1A1 (0.57) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL32676007 0.72 ALDH1A1 (0.51) CYSLTR1GPBAR1ALDH1A1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572758-A1 PROTEIN:PROTEIN INTERACTION INHIBITORS Purdue Research Foundation (US) 2025-06-25 EP disclosed
WO-2024039864-A1 PROTEIN:PROTEIN INTERACTION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2024-02-22 WO disclosed